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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
3,4-Dihydro-2,4,9-trihydroxy-6-methoxy-8-methyl-1(2 h)-anthracenone
288.29
2.1
3
5
86.99
1
3,4-Dihydro-4,6,9-trihydroxy-7-carbomethoxy-8-methyl-1(2 h)-anthracenone
316.30
2.8
3
6
104.06
2
(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
598.80
8.6
1
6
82.06
7
(E)-4-[(1S,2S,17S,19R)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enal
576.70
4.9
1
8
108.36
6
(Z)-4-[(1S,2S,17S,19R)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
592.70
5
2
9
128.59
6
2-[3-[(3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]propylidene]propane-1,3-diol
236.35
2.7
2
2
40.46
5
(3aS,6R,6aR)-3a,5,5-trimethyl-6-(3-oxobutyl)-3,4,6,6a-tetrahydro-2H-pentalen-1-one
236.35
2.5
0
2
34.14
3
(4aR,5R,8R,8aS)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-1,4a,6,7,8,8a-hexahydronaphthalen-2-one
236.35
2.8
1
2
37.3
1
5-[[(2S,3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-methoxyoxolan-3-yl]methyl]-1,3-benzodioxole
370.40
3.9
0
6
55.38
5
(1S,6S,11S,14R,15S,18R,19R,20R,21S)-20,21-dihydroxy-8,8,14,15,18,19-hexamethyl-23-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosa-2,4-diene-11-carboxylic acid
484.70
4.6
3
5
86.99
1
[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
823.00
2.5
7
14
214.06
8
[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
823.00
3.1
7
14
214.06
8
[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
823.00
2.5
7
14
214.06
8
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
799.00
1.9
10
14
239.22
7
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5R,6R)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
1165.30
-3.1
13
26
390.82
12
11-Methylgerberinol
378.40
3.6
2
6
100.88
2
1-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,2,3-triol
392.40
0
5
8
128.84
7
(1aS,3aR,7S,7aS,7bR)-1,1,3a,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-7a-ol
222.37
4.1
1
1
20.23
0
(1R,4S,7R,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecan-8-ol
222.37
3.9
1
1
20.23
0
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]oxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
1073.30
0.3
12
21
325.83
11
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,4aR,5R,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2,5-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
1237.30
-2.9
16
28
450.12
13
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8,14-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
945.10
1
12
18
298.14
9
2-(5,10-Dihydroxy-7-methoxy-2-methyl-1,4-dioxoanthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
566.50
5.6
4
10
167.66
3
9-(1,8-Dihydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-5,10-dihydroxy-2-methoxy-7-methylanthracene-1,4-dione
566.50
5.8
4
10
167.66
3
Cistanoside A
800.80
-1.8
11
20
313.44
15
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